CHEBI:88687 - 4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide

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ChEBI Name 4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide ChEBI ID CHEBI:88687 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H26O12 Net Charge 0 Average Mass 434.393 Monoisotopic Mass 434.14243 InChI InChI=1S/C18H26O12/c19-9(3-8-4-10(20)6-11(21)5-8)1-2-12(22)28-7-29-18-15(25)13(23)14(24)16(30-18)17(26)27/h4-6,9,13-21,23-27H,1-3,7H2 InChIKey NLJOFAILECLFIF-UHFFFAOYSA-N SMILES C=1(C=C(C=C(C1)O)CC(CCC(OCOC2C(C(C(C(O2)C(O)O)O)O)O)=O)O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide (CHEBI:88687) is a trisaccharide derivative (CHEBI:63571) Synonym Source {[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoate HMDB Manual Xref Database HMDB0059974 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC